364611 <common-name>O-benzyl methylsulfanylmethanethioate</common-name> <description>O-benzyl methylsulfanylmethanethioate is a chemical compound with the formula C9H10OS2. It has an average molecular weight of 198.30 g/mol.</description> <cas nil="true"/> <pubchem-id>3415526</pubchem-id> <chemical-formula>C9H10OS2</chemical-formula> <weight>198.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T14:47:06Z</created-at> <updated-at type="dateTime">2026-09-01T14:47:06Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CSC(=S)OCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C9H10OS2</moldb-formula> <moldb-inchi>InChI=1S/C9H10OS2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3</moldb-inchi> <moldb-inchikey>NAZXZBSNTIBZDV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">198.0173073</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM360504</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>O-benzyl methylsulfanylmethanethioate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">2752</paper-count> <sync-id>CED0005720</sync-id> <structure-inchikey>NAZXZBSNTIBZDV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800040020800000010000000000000000000000000000000000000000000000000000000000004202000000000000000400000000000000000000000000000000000000000000000000000000100000000000040000000000000010000000000000000000000000000000000000000000000000000000000000040200400800000000000000000000000000100000000040000000000000000000000000000000000080000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000002000000000000000000000000000000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������(�������(�������(�������`������@(������@h�������@h�������@h�������@h�������@h���������������(��� ��������h���h�� h� h� �h���h�B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:58Z</structure-indexed-at> </compound>